USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -131:sc= 1.29 USER MOD Single : A 24 ASN : amide:sc= -0.145 K(o=-0.14,f=-0.96) USER MOD Single : A 32 SER OG : rot -79:sc= 0.618 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.651 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -28:sc= 1 USER MOD Single : A 46 GLN : amide:sc= -7.41! C(o=-7.4!,f=-13!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -82:sc= 0.532 USER MOD Single : A 57 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.7!) USER MOD Single : A 74 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-3.6!) USER MOD Single : A 82 ASN :FLIP amide:sc=-0.00516 F(o=-0.66,f=-0.0052) USER MOD Single : A 85 TYR OH : rot -23:sc= 1.27 USER MOD Single : A 88 ASN : amide:sc= -0.6 K(o=-0.6,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 12.039 -35.267 -7.990 1.00 70.52 N ATOM 195 CA GLU A 15 10.684 -35.804 -8.026 1.00 33.43 C ATOM 196 C GLU A 15 9.910 -35.411 -6.771 1.00 34.02 C ATOM 197 O GLU A 15 10.366 -34.584 -5.981 1.00 34.12 O ATOM 198 CB GLU A 15 10.718 -37.328 -8.160 1.00 63.22 C ATOM 199 CG GLU A 15 9.936 -37.852 -9.353 1.00 14.04 C ATOM 200 CD GLU A 15 10.659 -37.633 -10.667 1.00 63.30 C ATOM 201 OE1 GLU A 15 10.022 -37.797 -11.729 1.00 1.13 O ATOM 202 OE2 GLU A 15 11.862 -37.299 -10.634 1.00 60.34 O ATOM 0 HA GLU A 15 10.177 -35.381 -8.893 1.00 33.43 H new ATOM 0 HB2 GLU A 15 11.755 -37.654 -8.244 1.00 63.22 H new ATOM 0 HB3 GLU A 15 10.317 -37.773 -7.250 1.00 63.22 H new ATOM 0 HG2 GLU A 15 9.748 -38.917 -9.220 1.00 14.04 H new ATOM 0 HG3 GLU A 15 8.965 -37.359 -9.391 1.00 14.04 H new ATOM 209 N TYR A 16 8.737 -36.009 -6.595 1.00 54.10 N ATOM 210 CA TYR A 16 7.897 -35.720 -5.439 1.00 10.44 C ATOM 211 C TYR A 16 7.342 -37.005 -4.833 1.00 25.34 C ATOM 212 O TYR A 16 7.630 -38.104 -5.310 1.00 14.52 O ATOM 213 CB TYR A 16 6.747 -34.793 -5.836 1.00 1.40 C ATOM 214 CG TYR A 16 6.142 -35.121 -7.182 1.00 41.12 C ATOM 215 CD1 TYR A 16 5.283 -36.203 -7.334 1.00 42.44 C ATOM 216 CD2 TYR A 16 6.430 -34.351 -8.302 1.00 10.40 C ATOM 217 CE1 TYR A 16 4.729 -36.507 -8.563 1.00 15.05 C ATOM 218 CE2 TYR A 16 5.879 -34.647 -9.534 1.00 12.34 C ATOM 219 CZ TYR A 16 5.029 -35.726 -9.659 1.00 10.22 C ATOM 220 OH TYR A 16 4.479 -36.025 -10.884 1.00 41.13 O ATOM 0 H TYR A 16 8.346 -36.697 -7.239 1.00 54.10 H new ATOM 0 HA TYR A 16 8.514 -35.223 -4.690 1.00 10.44 H new ATOM 0 HB2 TYR A 16 5.969 -34.847 -5.075 1.00 1.40 H new ATOM 0 HB3 TYR A 16 7.109 -33.765 -5.850 1.00 1.40 H new ATOM 0 HD1 TYR A 16 5.045 -36.816 -6.478 1.00 42.44 H new ATOM 0 HD2 TYR A 16 7.096 -33.506 -8.208 1.00 10.40 H new ATOM 0 HE1 TYR A 16 4.064 -37.352 -8.665 1.00 15.05 H new ATOM 0 HE2 TYR A 16 6.113 -34.037 -10.394 1.00 12.34 H new ATOM 0 HH TYR A 16 4.791 -35.377 -11.550 1.00 41.13 H new ATOM 230 N ILE A 17 6.546 -36.859 -3.779 1.00 62.40 N ATOM 231 CA ILE A 17 5.949 -38.008 -3.108 1.00 44.24 C ATOM 232 C ILE A 17 4.429 -37.895 -3.072 1.00 42.45 C ATOM 233 O ILE A 17 3.882 -36.895 -2.606 1.00 72.24 O ATOM 234 CB ILE A 17 6.476 -38.155 -1.669 1.00 21.24 C ATOM 235 CG1 ILE A 17 5.607 -39.139 -0.882 1.00 54.54 C ATOM 236 CG2 ILE A 17 6.512 -36.801 -0.977 1.00 10.15 C ATOM 237 CD1 ILE A 17 6.136 -39.440 0.502 1.00 64.41 C ATOM 0 H ILE A 17 6.300 -35.957 -3.371 1.00 62.40 H new ATOM 0 HA ILE A 17 6.231 -38.891 -3.682 1.00 44.24 H new ATOM 0 HB ILE A 17 7.492 -38.548 -1.708 1.00 21.24 H new ATOM 0 HG12 ILE A 17 4.599 -38.733 -0.796 1.00 54.54 H new ATOM 0 HG13 ILE A 17 5.529 -40.071 -1.443 1.00 54.54 H new ATOM 0 HG21 ILE A 17 6.887 -36.922 0.039 1.00 10.15 H new ATOM 0 HG22 ILE A 17 7.169 -36.128 -1.528 1.00 10.15 H new ATOM 0 HG23 ILE A 17 5.506 -36.382 -0.945 1.00 10.15 H new ATOM 0 HD11 ILE A 17 5.470 -40.144 1.001 1.00 64.41 H new ATOM 0 HD12 ILE A 17 7.132 -39.876 0.424 1.00 64.41 H new ATOM 0 HD13 ILE A 17 6.188 -38.517 1.080 1.00 64.41 H new ATOM 249 N ARG A 18 3.753 -38.927 -3.566 1.00 53.52 N ATOM 250 CA ARG A 18 2.295 -38.943 -3.590 1.00 60.41 C ATOM 251 C ARG A 18 1.751 -40.089 -2.741 1.00 54.43 C ATOM 252 O ARG A 18 1.810 -41.252 -3.139 1.00 34.44 O ATOM 253 CB ARG A 18 1.789 -39.075 -5.028 1.00 12.42 C ATOM 254 CG ARG A 18 1.431 -37.745 -5.671 1.00 51.12 C ATOM 255 CD ARG A 18 0.263 -37.889 -6.635 1.00 2.34 C ATOM 256 NE ARG A 18 0.677 -37.720 -8.025 1.00 51.11 N ATOM 257 CZ ARG A 18 -0.169 -37.472 -9.019 1.00 12.44 C ATOM 258 NH1 ARG A 18 -1.468 -37.363 -8.776 1.00 72.40 N ATOM 259 NH2 ARG A 18 0.284 -37.331 -10.258 1.00 13.42 N ATOM 0 H ARG A 18 4.191 -39.762 -3.955 1.00 53.52 H new ATOM 0 HA ARG A 18 1.939 -38.002 -3.172 1.00 60.41 H new ATOM 0 HB2 ARG A 18 2.554 -39.566 -5.630 1.00 12.42 H new ATOM 0 HB3 ARG A 18 0.912 -39.722 -5.038 1.00 12.42 H new ATOM 0 HG2 ARG A 18 1.178 -37.021 -4.896 1.00 51.12 H new ATOM 0 HG3 ARG A 18 2.297 -37.352 -6.203 1.00 51.12 H new ATOM 0 HD2 ARG A 18 -0.192 -38.871 -6.509 1.00 2.34 H new ATOM 0 HD3 ARG A 18 -0.501 -37.150 -6.392 1.00 2.34 H new ATOM 0 HE ARG A 18 1.670 -37.797 -8.245 1.00 51.11 H new ATOM 0 HH11 ARG A 18 -1.820 -37.470 -7.824 1.00 72.40 H new ATOM 0 HH12 ARG A 18 -2.116 -37.173 -9.541 1.00 72.40 H new ATOM 0 HH21 ARG A 18 1.283 -37.413 -10.448 1.00 13.42 H new ATOM 0 HH22 ARG A 18 -0.366 -37.141 -11.020 1.00 13.42 H new ATOM 273 N VAL A 19 1.221 -39.750 -1.570 1.00 20.41 N ATOM 274 CA VAL A 19 0.666 -40.750 -0.665 1.00 14.40 C ATOM 275 C VAL A 19 -0.489 -40.174 0.147 1.00 11.02 C ATOM 276 O VAL A 19 -0.523 -38.978 0.439 1.00 52.15 O ATOM 277 CB VAL A 19 1.738 -41.291 0.300 1.00 55.15 C ATOM 278 CG1 VAL A 19 2.682 -42.236 -0.427 1.00 72.14 C ATOM 279 CG2 VAL A 19 2.506 -40.144 0.939 1.00 33.33 C ATOM 0 H VAL A 19 1.164 -38.791 -1.226 1.00 20.41 H new ATOM 0 HA VAL A 19 0.299 -41.569 -1.284 1.00 14.40 H new ATOM 0 HB VAL A 19 1.241 -41.851 1.092 1.00 55.15 H new ATOM 0 HG11 VAL A 19 3.433 -42.608 0.270 1.00 72.14 H new ATOM 0 HG12 VAL A 19 2.116 -43.075 -0.833 1.00 72.14 H new ATOM 0 HG13 VAL A 19 3.175 -41.703 -1.240 1.00 72.14 H new ATOM 0 HG21 VAL A 19 3.259 -40.544 1.618 1.00 33.33 H new ATOM 0 HG22 VAL A 19 2.994 -39.555 0.162 1.00 33.33 H new ATOM 0 HG23 VAL A 19 1.816 -39.510 1.496 1.00 33.33 H new ATOM 289 N THR A 20 -1.436 -41.034 0.512 1.00 44.45 N ATOM 290 CA THR A 20 -2.593 -40.611 1.290 1.00 71.31 C ATOM 291 C THR A 20 -2.659 -41.349 2.622 1.00 5.03 C ATOM 292 O THR A 20 -2.277 -42.515 2.715 1.00 4.14 O ATOM 293 CB THR A 20 -3.905 -40.849 0.519 1.00 35.43 C ATOM 294 OG1 THR A 20 -5.020 -40.770 1.414 1.00 34.44 O ATOM 295 CG2 THR A 20 -3.893 -42.208 -0.164 1.00 63.33 C ATOM 0 H THR A 20 -1.423 -42.027 0.281 1.00 44.45 H new ATOM 0 HA THR A 20 -2.477 -39.543 1.475 1.00 71.31 H new ATOM 0 HB THR A 20 -3.996 -40.077 -0.245 1.00 35.43 H new ATOM 0 HG1 THR A 20 -5.604 -41.546 1.279 1.00 34.44 H new ATOM 0 HG21 THR A 20 -4.830 -42.353 -0.702 1.00 63.33 H new ATOM 0 HG22 THR A 20 -3.060 -42.255 -0.866 1.00 63.33 H new ATOM 0 HG23 THR A 20 -3.780 -42.991 0.586 1.00 63.33 H new ATOM 303 N GLU A 21 -3.146 -40.662 3.651 1.00 44.32 N ATOM 304 CA GLU A 21 -3.260 -41.254 4.978 1.00 13.45 C ATOM 305 C GLU A 21 -4.385 -42.284 5.019 1.00 21.23 C ATOM 306 O GLU A 21 -4.197 -43.405 5.493 1.00 71.24 O ATOM 307 CB GLU A 21 -3.512 -40.167 6.026 1.00 44.43 C ATOM 308 CG GLU A 21 -3.205 -40.608 7.447 1.00 74.41 C ATOM 309 CD GLU A 21 -4.416 -40.527 8.357 1.00 61.34 C ATOM 310 OE1 GLU A 21 -4.848 -41.584 8.864 1.00 4.21 O ATOM 311 OE2 GLU A 21 -4.932 -39.409 8.561 1.00 44.42 O ATOM 0 H GLU A 21 -3.467 -39.696 3.591 1.00 44.32 H new ATOM 0 HA GLU A 21 -2.320 -41.757 5.205 1.00 13.45 H new ATOM 0 HB2 GLU A 21 -2.904 -39.295 5.786 1.00 44.43 H new ATOM 0 HB3 GLU A 21 -4.555 -39.854 5.969 1.00 44.43 H new ATOM 0 HG2 GLU A 21 -2.833 -41.633 7.433 1.00 74.41 H new ATOM 0 HG3 GLU A 21 -2.408 -39.985 7.853 1.00 74.41 H new ATOM 318 N ASP A 22 -5.553 -41.896 4.521 1.00 74.03 N ATOM 319 CA ASP A 22 -6.709 -42.785 4.499 1.00 21.42 C ATOM 320 C ASP A 22 -6.978 -43.293 3.086 1.00 40.31 C ATOM 321 O ASP A 22 -6.734 -42.588 2.107 1.00 73.00 O ATOM 322 CB ASP A 22 -7.945 -42.064 5.039 1.00 3.13 C ATOM 323 CG ASP A 22 -8.396 -42.613 6.378 1.00 12.35 C ATOM 324 OD1 ASP A 22 -8.607 -41.807 7.310 1.00 71.25 O ATOM 325 OD2 ASP A 22 -8.540 -43.847 6.495 1.00 23.53 O ATOM 0 H ASP A 22 -5.725 -40.971 4.127 1.00 74.03 H new ATOM 0 HA ASP A 22 -6.489 -43.641 5.138 1.00 21.42 H new ATOM 0 HB2 ASP A 22 -7.727 -41.001 5.140 1.00 3.13 H new ATOM 0 HB3 ASP A 22 -8.759 -42.155 4.319 1.00 3.13 H new ATOM 330 N GLU A 23 -7.481 -44.519 2.989 1.00 63.55 N ATOM 331 CA GLU A 23 -7.781 -45.121 1.694 1.00 5.04 C ATOM 332 C GLU A 23 -8.889 -44.352 0.981 1.00 32.41 C ATOM 333 O GLU A 23 -8.884 -44.227 -0.243 1.00 23.53 O ATOM 334 CB GLU A 23 -8.191 -46.584 1.870 1.00 30.51 C ATOM 335 CG GLU A 23 -9.521 -46.762 2.584 1.00 65.20 C ATOM 336 CD GLU A 23 -9.653 -48.123 3.240 1.00 52.11 C ATOM 337 OE1 GLU A 23 -9.446 -48.211 4.468 1.00 23.43 O ATOM 338 OE2 GLU A 23 -9.964 -49.099 2.526 1.00 41.34 O ATOM 0 H GLU A 23 -7.689 -45.115 3.790 1.00 63.55 H new ATOM 0 HA GLU A 23 -6.880 -45.075 1.083 1.00 5.04 H new ATOM 0 HB2 GLU A 23 -8.248 -47.057 0.890 1.00 30.51 H new ATOM 0 HB3 GLU A 23 -7.415 -47.105 2.430 1.00 30.51 H new ATOM 0 HG2 GLU A 23 -9.629 -45.986 3.341 1.00 65.20 H new ATOM 0 HG3 GLU A 23 -10.333 -46.626 1.870 1.00 65.20 H new ATOM 345 N ASN A 24 -9.839 -43.840 1.756 1.00 33.14 N ATOM 346 CA ASN A 24 -10.956 -43.085 1.199 1.00 4.35 C ATOM 347 C ASN A 24 -10.493 -41.720 0.698 1.00 22.03 C ATOM 348 O ASN A 24 -11.085 -41.150 -0.218 1.00 74.21 O ATOM 349 CB ASN A 24 -12.054 -42.909 2.250 1.00 72.12 C ATOM 350 CG ASN A 24 -13.443 -42.914 1.640 1.00 1.44 C ATOM 351 OD1 ASN A 24 -13.726 -43.680 0.719 1.00 1.50 O ATOM 352 ND2 ASN A 24 -14.317 -42.056 2.154 1.00 42.44 N ATOM 0 H ASN A 24 -9.858 -43.934 2.771 1.00 33.14 H new ATOM 0 HA ASN A 24 -11.357 -43.646 0.355 1.00 4.35 H new ATOM 0 HB2 ASN A 24 -11.980 -43.709 2.986 1.00 72.12 H new ATOM 0 HB3 ASN A 24 -11.897 -41.971 2.782 1.00 72.12 H new ATOM 0 HD21 ASN A 24 -15.267 -42.013 1.785 1.00 42.44 H new ATOM 0 HD22 ASN A 24 -14.038 -41.440 2.917 1.00 42.44 H new ATOM 359 N ASP A 25 -9.431 -41.202 1.305 1.00 24.32 N ATOM 360 CA ASP A 25 -8.887 -39.905 0.920 1.00 65.31 C ATOM 361 C ASP A 25 -8.062 -40.020 -0.359 1.00 13.24 C ATOM 362 O ASP A 25 -7.606 -41.104 -0.719 1.00 34.53 O ATOM 363 CB ASP A 25 -8.025 -39.334 2.047 1.00 31.45 C ATOM 364 CG ASP A 25 -8.824 -38.475 3.008 1.00 64.21 C ATOM 365 OD1 ASP A 25 -10.031 -38.744 3.182 1.00 21.31 O ATOM 366 OD2 ASP A 25 -8.241 -37.534 3.586 1.00 33.21 O ATOM 0 H ASP A 25 -8.930 -41.660 2.066 1.00 24.32 H new ATOM 0 HA ASP A 25 -9.722 -39.229 0.734 1.00 65.31 H new ATOM 0 HB2 ASP A 25 -7.561 -40.153 2.596 1.00 31.45 H new ATOM 0 HB3 ASP A 25 -7.218 -38.740 1.618 1.00 31.45 H new ATOM 371 N GLU A 26 -7.877 -38.894 -1.040 1.00 44.50 N ATOM 372 CA GLU A 26 -7.109 -38.869 -2.279 1.00 61.15 C ATOM 373 C GLU A 26 -5.614 -38.762 -1.992 1.00 31.24 C ATOM 374 O GLU A 26 -5.191 -38.258 -0.951 1.00 32.42 O ATOM 375 CB GLU A 26 -7.555 -37.699 -3.159 1.00 30.12 C ATOM 376 CG GLU A 26 -8.541 -38.095 -4.245 1.00 34.24 C ATOM 377 CD GLU A 26 -8.046 -37.752 -5.636 1.00 71.21 C ATOM 378 OE1 GLU A 26 -8.058 -36.555 -5.991 1.00 10.31 O ATOM 379 OE2 GLU A 26 -7.647 -38.680 -6.370 1.00 30.20 O ATOM 0 H GLU A 26 -8.248 -37.988 -0.755 1.00 44.50 H new ATOM 0 HA GLU A 26 -7.294 -39.804 -2.808 1.00 61.15 H new ATOM 0 HB2 GLU A 26 -8.009 -36.934 -2.529 1.00 30.12 H new ATOM 0 HB3 GLU A 26 -6.677 -37.249 -3.623 1.00 30.12 H new ATOM 0 HG2 GLU A 26 -8.731 -39.167 -4.185 1.00 34.24 H new ATOM 0 HG3 GLU A 26 -9.492 -37.593 -4.068 1.00 34.24 H new ATOM 386 N PRO A 27 -4.794 -39.248 -2.935 1.00 70.12 N ATOM 387 CA PRO A 27 -3.334 -39.219 -2.806 1.00 71.15 C ATOM 388 C PRO A 27 -2.771 -37.805 -2.906 1.00 73.45 C ATOM 389 O PRO A 27 -2.629 -37.260 -4.001 1.00 53.03 O ATOM 390 CB PRO A 27 -2.857 -40.069 -3.987 1.00 30.24 C ATOM 391 CG PRO A 27 -3.954 -39.974 -4.990 1.00 41.32 C ATOM 392 CD PRO A 27 -5.229 -39.863 -4.201 1.00 1.42 C ATOM 0 HA PRO A 27 -3.003 -39.589 -1.835 1.00 71.15 H new ATOM 0 HB2 PRO A 27 -1.917 -39.693 -4.391 1.00 30.24 H new ATOM 0 HB3 PRO A 27 -2.684 -41.102 -3.687 1.00 30.24 H new ATOM 0 HG2 PRO A 27 -3.818 -39.106 -5.636 1.00 41.32 H new ATOM 0 HG3 PRO A 27 -3.970 -40.852 -5.635 1.00 41.32 H new ATOM 0 HD2 PRO A 27 -5.967 -39.247 -4.714 1.00 1.42 H new ATOM 0 HD3 PRO A 27 -5.687 -40.839 -4.037 1.00 1.42 H new ATOM 400 N ILE A 28 -2.452 -37.218 -1.758 1.00 72.01 N ATOM 401 CA ILE A 28 -1.903 -35.868 -1.718 1.00 34.33 C ATOM 402 C ILE A 28 -0.463 -35.846 -2.217 1.00 43.51 C ATOM 403 O ILE A 28 0.356 -36.672 -1.816 1.00 2.30 O ATOM 404 CB ILE A 28 -1.950 -35.284 -0.294 1.00 15.14 C ATOM 405 CG1 ILE A 28 -1.277 -33.911 -0.260 1.00 4.42 C ATOM 406 CG2 ILE A 28 -1.282 -36.232 0.691 1.00 70.25 C ATOM 407 CD1 ILE A 28 -1.896 -32.910 -1.210 1.00 73.01 C ATOM 0 H ILE A 28 -2.564 -37.655 -0.843 1.00 72.01 H new ATOM 0 HA ILE A 28 -2.522 -35.256 -2.374 1.00 34.33 H new ATOM 0 HB ILE A 28 -2.993 -35.164 -0.001 1.00 15.14 H new ATOM 0 HG12 ILE A 28 -1.328 -33.516 0.755 1.00 4.42 H new ATOM 0 HG13 ILE A 28 -0.221 -34.027 -0.505 1.00 4.42 H new ATOM 0 HG21 ILE A 28 -1.324 -35.804 1.693 1.00 70.25 H new ATOM 0 HG22 ILE A 28 -1.802 -37.190 0.683 1.00 70.25 H new ATOM 0 HG23 ILE A 28 -0.241 -36.382 0.403 1.00 70.25 H new ATOM 0 HD11 ILE A 28 -1.368 -31.960 -1.132 1.00 73.01 H new ATOM 0 HD12 ILE A 28 -1.822 -33.284 -2.231 1.00 73.01 H new ATOM 0 HD13 ILE A 28 -2.945 -32.764 -0.952 1.00 73.01 H new ATOM 419 N GLU A 29 -0.161 -34.893 -3.093 1.00 41.54 N ATOM 420 CA GLU A 29 1.182 -34.762 -3.647 1.00 10.15 C ATOM 421 C GLU A 29 1.967 -33.674 -2.919 1.00 33.02 C ATOM 422 O GLU A 29 1.520 -32.530 -2.823 1.00 60.54 O ATOM 423 CB GLU A 29 1.113 -34.443 -5.141 1.00 50.24 C ATOM 424 CG GLU A 29 0.336 -33.176 -5.458 1.00 73.33 C ATOM 425 CD GLU A 29 0.203 -32.931 -6.949 1.00 12.23 C ATOM 426 OE1 GLU A 29 0.471 -31.793 -7.388 1.00 55.21 O ATOM 427 OE2 GLU A 29 -0.169 -33.876 -7.675 1.00 51.33 O ATOM 0 H GLU A 29 -0.828 -34.201 -3.434 1.00 41.54 H new ATOM 0 HA GLU A 29 1.698 -35.712 -3.510 1.00 10.15 H new ATOM 0 HB2 GLU A 29 2.126 -34.344 -5.530 1.00 50.24 H new ATOM 0 HB3 GLU A 29 0.652 -35.282 -5.662 1.00 50.24 H new ATOM 0 HG2 GLU A 29 -0.657 -33.243 -5.015 1.00 73.33 H new ATOM 0 HG3 GLU A 29 0.834 -32.324 -4.996 1.00 73.33 H new ATOM 434 N ILE A 30 3.137 -34.039 -2.407 1.00 63.12 N ATOM 435 CA ILE A 30 3.984 -33.095 -1.689 1.00 23.12 C ATOM 436 C ILE A 30 5.400 -33.086 -2.255 1.00 41.30 C ATOM 437 O ILE A 30 5.865 -34.060 -2.847 1.00 41.10 O ATOM 438 CB ILE A 30 4.047 -33.426 -0.186 1.00 13.41 C ATOM 439 CG1 ILE A 30 3.783 -34.915 0.042 1.00 33.34 C ATOM 440 CG2 ILE A 30 3.043 -32.580 0.584 1.00 23.24 C ATOM 441 CD1 ILE A 30 4.480 -35.472 1.264 1.00 61.34 C ATOM 0 H ILE A 30 3.520 -34.982 -2.476 1.00 63.12 H new ATOM 0 HA ILE A 30 3.537 -32.109 -1.818 1.00 23.12 H new ATOM 0 HB ILE A 30 5.047 -33.194 0.181 1.00 13.41 H new ATOM 0 HG12 ILE A 30 2.709 -35.074 0.142 1.00 33.34 H new ATOM 0 HG13 ILE A 30 4.107 -35.472 -0.837 1.00 33.34 H new ATOM 0 HG21 ILE A 30 3.099 -32.825 1.645 1.00 23.24 H new ATOM 0 HG22 ILE A 30 3.273 -31.524 0.443 1.00 23.24 H new ATOM 0 HG23 ILE A 30 2.037 -32.785 0.217 1.00 23.24 H new ATOM 0 HD11 ILE A 30 4.248 -36.532 1.364 1.00 61.34 H new ATOM 0 HD12 ILE A 30 5.557 -35.345 1.158 1.00 61.34 H new ATOM 0 HD13 ILE A 30 4.137 -34.941 2.152 1.00 61.34 H new ATOM 453 N PRO A 31 6.104 -31.960 -2.069 1.00 4.53 N ATOM 454 CA PRO A 31 7.479 -31.796 -2.551 1.00 70.43 C ATOM 455 C PRO A 31 8.471 -32.660 -1.780 1.00 34.53 C ATOM 456 O PRO A 31 8.334 -32.850 -0.571 1.00 45.50 O ATOM 457 CB PRO A 31 7.765 -30.312 -2.313 1.00 12.32 C ATOM 458 CG PRO A 31 6.852 -29.924 -1.201 1.00 23.11 C ATOM 459 CD PRO A 31 5.613 -30.759 -1.372 1.00 3.21 C ATOM 0 HA PRO A 31 7.584 -32.102 -3.592 1.00 70.43 H new ATOM 0 HB2 PRO A 31 8.808 -30.148 -2.044 1.00 12.32 H new ATOM 0 HB3 PRO A 31 7.570 -29.723 -3.209 1.00 12.32 H new ATOM 0 HG2 PRO A 31 7.316 -30.109 -0.232 1.00 23.11 H new ATOM 0 HG3 PRO A 31 6.615 -28.861 -1.243 1.00 23.11 H new ATOM 0 HD2 PRO A 31 5.161 -31.008 -0.412 1.00 3.21 H new ATOM 0 HD3 PRO A 31 4.854 -30.238 -1.956 1.00 3.21 H new ATOM 467 N SER A 32 9.468 -33.182 -2.486 1.00 24.40 N ATOM 468 CA SER A 32 10.481 -34.030 -1.867 1.00 44.55 C ATOM 469 C SER A 32 11.881 -33.485 -2.133 1.00 44.45 C ATOM 470 O SER A 32 12.082 -32.675 -3.038 1.00 13.42 O ATOM 471 CB SER A 32 10.370 -35.461 -2.395 1.00 24.43 C ATOM 472 OG SER A 32 11.314 -35.700 -3.424 1.00 64.32 O ATOM 0 H SER A 32 9.597 -33.033 -3.487 1.00 24.40 H new ATOM 0 HA SER A 32 10.309 -34.033 -0.791 1.00 44.55 H new ATOM 0 HB2 SER A 32 10.530 -36.166 -1.579 1.00 24.43 H new ATOM 0 HB3 SER A 32 9.363 -35.635 -2.774 1.00 24.43 H new ATOM 0 HG SER A 32 10.990 -35.310 -4.263 1.00 64.32 H new ATOM 478 N GLU A 33 12.846 -33.936 -1.338 1.00 43.11 N ATOM 479 CA GLU A 33 14.228 -33.493 -1.487 1.00 34.01 C ATOM 480 C GLU A 33 14.786 -33.901 -2.847 1.00 23.41 C ATOM 481 O GLU A 33 14.205 -34.733 -3.544 1.00 65.32 O ATOM 482 CB GLU A 33 15.096 -34.076 -0.370 1.00 45.04 C ATOM 483 CG GLU A 33 15.392 -33.091 0.748 1.00 12.02 C ATOM 484 CD GLU A 33 16.290 -31.954 0.302 1.00 50.40 C ATOM 485 OE1 GLU A 33 16.783 -32.002 -0.845 1.00 33.53 O ATOM 486 OE2 GLU A 33 16.500 -31.015 1.099 1.00 63.44 O ATOM 0 H GLU A 33 12.697 -34.607 -0.585 1.00 43.11 H new ATOM 0 HA GLU A 33 14.244 -32.405 -1.419 1.00 34.01 H new ATOM 0 HB2 GLU A 33 14.596 -34.949 0.049 1.00 45.04 H new ATOM 0 HB3 GLU A 33 16.037 -34.422 -0.796 1.00 45.04 H new ATOM 0 HG2 GLU A 33 14.454 -32.682 1.124 1.00 12.02 H new ATOM 0 HG3 GLU A 33 15.865 -33.619 1.576 1.00 12.02 H new ATOM 493 N ASP A 34 15.917 -33.310 -3.217 1.00 55.43 N ATOM 494 CA ASP A 34 16.555 -33.611 -4.493 1.00 60.22 C ATOM 495 C ASP A 34 17.053 -35.053 -4.524 1.00 44.32 C ATOM 496 O ASP A 34 16.967 -35.728 -5.550 1.00 13.01 O ATOM 497 CB ASP A 34 17.718 -32.651 -4.745 1.00 43.23 C ATOM 498 CG ASP A 34 17.358 -31.211 -4.436 1.00 72.01 C ATOM 499 OD1 ASP A 34 17.155 -30.432 -5.391 1.00 4.52 O ATOM 500 OD2 ASP A 34 17.277 -30.864 -3.239 1.00 42.14 O ATOM 0 H ASP A 34 16.411 -32.620 -2.651 1.00 55.43 H new ATOM 0 HA ASP A 34 15.813 -33.485 -5.281 1.00 60.22 H new ATOM 0 HB2 ASP A 34 18.570 -32.949 -4.134 1.00 43.23 H new ATOM 0 HB3 ASP A 34 18.030 -32.729 -5.786 1.00 43.23 H new ATOM 505 N ASP A 35 17.576 -35.517 -3.395 1.00 11.15 N ATOM 506 CA ASP A 35 18.089 -36.878 -3.292 1.00 34.21 C ATOM 507 C ASP A 35 16.971 -37.896 -3.494 1.00 33.50 C ATOM 508 O ASP A 35 17.226 -39.062 -3.796 1.00 14.51 O ATOM 509 CB ASP A 35 18.753 -37.095 -1.931 1.00 53.32 C ATOM 510 CG ASP A 35 20.241 -37.356 -2.049 1.00 4.24 C ATOM 511 OD1 ASP A 35 20.641 -38.539 -2.016 1.00 1.20 O ATOM 512 OD2 ASP A 35 21.007 -36.377 -2.174 1.00 71.41 O ATOM 0 H ASP A 35 17.656 -34.970 -2.538 1.00 11.15 H new ATOM 0 HA ASP A 35 18.832 -37.020 -4.076 1.00 34.21 H new ATOM 0 HB2 ASP A 35 18.589 -36.217 -1.306 1.00 53.32 H new ATOM 0 HB3 ASP A 35 18.278 -37.937 -1.428 1.00 53.32 H new ATOM 517 N GLY A 36 15.731 -37.448 -3.324 1.00 35.00 N ATOM 518 CA GLY A 36 14.592 -38.333 -3.490 1.00 44.04 C ATOM 519 C GLY A 36 13.783 -38.483 -2.217 1.00 43.44 C ATOM 520 O GLY A 36 12.572 -38.697 -2.264 1.00 35.42 O ATOM 0 H GLY A 36 15.494 -36.488 -3.074 1.00 35.00 H new ATOM 0 HA2 GLY A 36 13.949 -37.948 -4.282 1.00 44.04 H new ATOM 0 HA3 GLY A 36 14.942 -39.314 -3.812 1.00 44.04 H new ATOM 524 N THR A 37 14.454 -38.371 -1.075 1.00 0.30 N ATOM 525 CA THR A 37 13.791 -38.498 0.216 1.00 14.24 C ATOM 526 C THR A 37 12.793 -37.366 0.436 1.00 71.33 C ATOM 527 O THR A 37 12.509 -36.590 -0.476 1.00 44.44 O ATOM 528 CB THR A 37 14.808 -38.501 1.373 1.00 61.22 C ATOM 529 OG1 THR A 37 15.412 -37.209 1.498 1.00 42.14 O ATOM 530 CG2 THR A 37 15.886 -39.550 1.143 1.00 75.14 C ATOM 0 H THR A 37 15.457 -38.193 -1.018 1.00 0.30 H new ATOM 0 HA THR A 37 13.261 -39.450 0.205 1.00 14.24 H new ATOM 0 HB THR A 37 14.277 -38.744 2.293 1.00 61.22 H new ATOM 0 HG1 THR A 37 16.367 -37.312 1.694 1.00 42.14 H new ATOM 0 HG21 THR A 37 16.593 -39.534 1.973 1.00 75.14 H new ATOM 0 HG22 THR A 37 15.426 -40.536 1.078 1.00 75.14 H new ATOM 0 HG23 THR A 37 16.413 -39.333 0.214 1.00 75.14 H new ATOM 538 N VAL A 38 12.263 -37.278 1.652 1.00 42.13 N ATOM 539 CA VAL A 38 11.298 -36.239 1.991 1.00 31.44 C ATOM 540 C VAL A 38 11.583 -35.654 3.370 1.00 42.53 C ATOM 541 O VAL A 38 11.766 -36.387 4.342 1.00 5.34 O ATOM 542 CB VAL A 38 9.857 -36.782 1.965 1.00 73.22 C ATOM 543 CG1 VAL A 38 8.895 -35.775 2.576 1.00 1.23 C ATOM 544 CG2 VAL A 38 9.445 -37.129 0.542 1.00 32.31 C ATOM 0 H VAL A 38 12.486 -37.913 2.418 1.00 42.13 H new ATOM 0 HA VAL A 38 11.398 -35.456 1.239 1.00 31.44 H new ATOM 0 HB VAL A 38 9.820 -37.693 2.563 1.00 73.22 H new ATOM 0 HG11 VAL A 38 7.882 -36.177 2.549 1.00 1.23 H new ATOM 0 HG12 VAL A 38 9.180 -35.580 3.610 1.00 1.23 H new ATOM 0 HG13 VAL A 38 8.932 -34.845 2.008 1.00 1.23 H new ATOM 0 HG21 VAL A 38 8.424 -37.511 0.542 1.00 32.31 H new ATOM 0 HG22 VAL A 38 9.498 -36.236 -0.080 1.00 32.31 H new ATOM 0 HG23 VAL A 38 10.117 -37.889 0.144 1.00 32.31 H new ATOM 554 N LEU A 39 11.619 -34.328 3.447 1.00 41.21 N ATOM 555 CA LEU A 39 11.882 -33.642 4.707 1.00 13.32 C ATOM 556 C LEU A 39 10.716 -33.815 5.675 1.00 34.51 C ATOM 557 O LEU A 39 9.554 -33.646 5.302 1.00 42.34 O ATOM 558 CB LEU A 39 12.135 -32.154 4.458 1.00 54.15 C ATOM 559 CG LEU A 39 13.241 -31.511 5.295 1.00 64.55 C ATOM 560 CD1 LEU A 39 14.592 -32.120 4.951 1.00 30.42 C ATOM 561 CD2 LEU A 39 13.264 -30.005 5.082 1.00 2.23 C ATOM 0 H LEU A 39 11.469 -33.707 2.652 1.00 41.21 H new ATOM 0 HA LEU A 39 12.771 -34.086 5.154 1.00 13.32 H new ATOM 0 HB2 LEU A 39 12.380 -32.019 3.404 1.00 54.15 H new ATOM 0 HB3 LEU A 39 11.207 -31.613 4.642 1.00 54.15 H new ATOM 0 HG LEU A 39 13.034 -31.706 6.347 1.00 64.55 H new ATOM 0 HD11 LEU A 39 15.367 -31.650 5.556 1.00 30.42 H new ATOM 0 HD12 LEU A 39 14.571 -33.191 5.155 1.00 30.42 H new ATOM 0 HD13 LEU A 39 14.807 -31.956 3.895 1.00 30.42 H new ATOM 0 HD21 LEU A 39 14.057 -29.564 5.686 1.00 2.23 H new ATOM 0 HD22 LEU A 39 13.446 -29.789 4.029 1.00 2.23 H new ATOM 0 HD23 LEU A 39 12.305 -29.581 5.378 1.00 2.23 H new ATOM 573 N LEU A 40 11.032 -34.153 6.920 1.00 5.22 N ATOM 574 CA LEU A 40 10.011 -34.347 7.944 1.00 62.44 C ATOM 575 C LEU A 40 9.045 -33.167 7.981 1.00 65.35 C ATOM 576 O LEU A 40 7.845 -33.341 8.193 1.00 44.23 O ATOM 577 CB LEU A 40 10.664 -34.530 9.315 1.00 32.10 C ATOM 578 CG LEU A 40 9.786 -35.160 10.397 1.00 24.32 C ATOM 579 CD1 LEU A 40 8.696 -34.193 10.831 1.00 2.30 C ATOM 580 CD2 LEU A 40 9.178 -36.463 9.899 1.00 23.20 C ATOM 0 H LEU A 40 11.988 -34.299 7.245 1.00 5.22 H new ATOM 0 HA LEU A 40 9.447 -35.246 7.694 1.00 62.44 H new ATOM 0 HB2 LEU A 40 11.554 -35.147 9.192 1.00 32.10 H new ATOM 0 HB3 LEU A 40 10.999 -33.555 9.669 1.00 32.10 H new ATOM 0 HG LEU A 40 10.412 -35.381 11.262 1.00 24.32 H new ATOM 0 HD11 LEU A 40 8.082 -34.659 11.601 1.00 2.30 H new ATOM 0 HD12 LEU A 40 9.151 -33.286 11.229 1.00 2.30 H new ATOM 0 HD13 LEU A 40 8.072 -33.939 9.974 1.00 2.30 H new ATOM 0 HD21 LEU A 40 8.556 -36.897 10.682 1.00 23.20 H new ATOM 0 HD22 LEU A 40 8.567 -36.266 9.018 1.00 23.20 H new ATOM 0 HD23 LEU A 40 9.975 -37.160 9.640 1.00 23.20 H new ATOM 592 N SER A 41 9.577 -31.967 7.770 1.00 22.34 N ATOM 593 CA SER A 41 8.763 -30.758 7.781 1.00 13.12 C ATOM 594 C SER A 41 7.583 -30.889 6.823 1.00 52.12 C ATOM 595 O SER A 41 6.492 -30.382 7.088 1.00 43.11 O ATOM 596 CB SER A 41 9.611 -29.543 7.401 1.00 50.15 C ATOM 597 OG SER A 41 10.214 -28.963 8.544 1.00 31.35 O ATOM 0 H SER A 41 10.568 -31.807 7.589 1.00 22.34 H new ATOM 0 HA SER A 41 8.375 -30.620 8.790 1.00 13.12 H new ATOM 0 HB2 SER A 41 10.383 -29.842 6.691 1.00 50.15 H new ATOM 0 HB3 SER A 41 8.987 -28.803 6.900 1.00 50.15 H new ATOM 0 HG SER A 41 10.752 -28.190 8.273 1.00 31.35 H new ATOM 603 N THR A 42 7.809 -31.574 5.706 1.00 51.31 N ATOM 604 CA THR A 42 6.767 -31.771 4.706 1.00 32.55 C ATOM 605 C THR A 42 5.725 -32.774 5.189 1.00 22.42 C ATOM 606 O THR A 42 4.522 -32.530 5.094 1.00 4.01 O ATOM 607 CB THR A 42 7.356 -32.263 3.371 1.00 55.24 C ATOM 608 OG1 THR A 42 8.308 -31.315 2.877 1.00 42.42 O ATOM 609 CG2 THR A 42 6.257 -32.470 2.339 1.00 61.03 C ATOM 0 H THR A 42 8.705 -32.002 5.471 1.00 51.31 H new ATOM 0 HA THR A 42 6.291 -30.803 4.550 1.00 32.55 H new ATOM 0 HB THR A 42 7.852 -33.217 3.547 1.00 55.24 H new ATOM 0 HG1 THR A 42 8.679 -31.636 2.029 1.00 42.42 H new ATOM 0 HG21 THR A 42 6.697 -32.818 1.404 1.00 61.03 H new ATOM 0 HG22 THR A 42 5.549 -33.213 2.706 1.00 61.03 H new ATOM 0 HG23 THR A 42 5.737 -31.528 2.167 1.00 61.03 H new ATOM 617 N VAL A 43 6.195 -33.904 5.708 1.00 34.54 N ATOM 618 CA VAL A 43 5.303 -34.944 6.208 1.00 22.42 C ATOM 619 C VAL A 43 4.298 -34.375 7.203 1.00 22.22 C ATOM 620 O VAL A 43 3.141 -34.794 7.243 1.00 31.54 O ATOM 621 CB VAL A 43 6.091 -36.082 6.885 1.00 43.41 C ATOM 622 CG1 VAL A 43 5.211 -36.823 7.879 1.00 21.25 C ATOM 623 CG2 VAL A 43 6.651 -37.036 5.841 1.00 42.11 C ATOM 0 H VAL A 43 7.188 -34.123 5.793 1.00 34.54 H new ATOM 0 HA VAL A 43 4.769 -35.344 5.346 1.00 22.42 H new ATOM 0 HB VAL A 43 6.927 -35.646 7.432 1.00 43.41 H new ATOM 0 HG11 VAL A 43 5.785 -37.623 8.347 1.00 21.25 H new ATOM 0 HG12 VAL A 43 4.864 -36.130 8.645 1.00 21.25 H new ATOM 0 HG13 VAL A 43 4.353 -37.248 7.359 1.00 21.25 H new ATOM 0 HG21 VAL A 43 7.205 -37.834 6.337 1.00 42.11 H new ATOM 0 HG22 VAL A 43 5.832 -37.467 5.265 1.00 42.11 H new ATOM 0 HG23 VAL A 43 7.318 -36.492 5.172 1.00 42.11 H new ATOM 633 N THR A 44 4.747 -33.416 8.007 1.00 44.35 N ATOM 634 CA THR A 44 3.888 -32.788 9.003 1.00 62.53 C ATOM 635 C THR A 44 2.889 -31.841 8.349 1.00 71.22 C ATOM 636 O THR A 44 1.810 -31.593 8.887 1.00 24.41 O ATOM 637 CB THR A 44 4.712 -32.008 10.044 1.00 24.00 C ATOM 638 OG1 THR A 44 5.409 -30.930 9.409 1.00 12.33 O ATOM 639 CG2 THR A 44 5.709 -32.922 10.741 1.00 43.05 C ATOM 0 H THR A 44 5.702 -33.057 7.988 1.00 44.35 H new ATOM 0 HA THR A 44 3.348 -33.591 9.505 1.00 62.53 H new ATOM 0 HB THR A 44 4.027 -31.608 10.791 1.00 24.00 H new ATOM 0 HG1 THR A 44 5.594 -31.165 8.476 1.00 12.33 H new ATOM 0 HG21 THR A 44 6.279 -32.348 11.472 1.00 43.05 H new ATOM 0 HG22 THR A 44 5.174 -33.725 11.248 1.00 43.05 H new ATOM 0 HG23 THR A 44 6.389 -33.348 10.004 1.00 43.05 H new ATOM 647 N ALA A 45 3.254 -31.315 7.184 1.00 3.35 N ATOM 648 CA ALA A 45 2.388 -30.397 6.456 1.00 51.42 C ATOM 649 C ALA A 45 0.968 -30.943 6.358 1.00 54.02 C ATOM 650 O ALA A 45 0.001 -30.235 6.638 1.00 34.33 O ATOM 651 CB ALA A 45 2.950 -30.130 5.067 1.00 20.42 C ATOM 0 H ALA A 45 4.144 -31.509 6.725 1.00 3.35 H new ATOM 0 HA ALA A 45 2.351 -29.458 7.008 1.00 51.42 H new ATOM 0 HB1 ALA A 45 2.293 -29.443 4.535 1.00 20.42 H new ATOM 0 HB2 ALA A 45 3.943 -29.688 5.155 1.00 20.42 H new ATOM 0 HB3 ALA A 45 3.018 -31.068 4.515 1.00 20.42 H new ATOM 657 N GLN A 46 0.850 -32.205 5.958 1.00 43.14 N ATOM 658 CA GLN A 46 -0.453 -32.845 5.822 1.00 41.34 C ATOM 659 C GLN A 46 -0.672 -33.874 6.926 1.00 51.42 C ATOM 660 O GLN A 46 -1.795 -34.073 7.389 1.00 14.51 O ATOM 661 CB GLN A 46 -0.575 -33.515 4.452 1.00 10.10 C ATOM 662 CG GLN A 46 0.288 -32.869 3.380 1.00 75.34 C ATOM 663 CD GLN A 46 1.569 -33.637 3.121 1.00 73.34 C ATOM 664 OE1 GLN A 46 2.661 -33.174 3.450 1.00 21.30 O ATOM 665 NE2 GLN A 46 1.442 -34.818 2.527 1.00 35.54 N ATOM 0 H GLN A 46 1.641 -32.804 5.722 1.00 43.14 H new ATOM 0 HA GLN A 46 -1.219 -32.075 5.911 1.00 41.34 H new ATOM 0 HB2 GLN A 46 -0.299 -34.565 4.545 1.00 10.10 H new ATOM 0 HB3 GLN A 46 -1.617 -33.486 4.134 1.00 10.10 H new ATOM 0 HG2 GLN A 46 -0.282 -32.798 2.454 1.00 75.34 H new ATOM 0 HG3 GLN A 46 0.534 -31.851 3.682 1.00 75.34 H new ATOM 0 HE21 GLN A 46 0.517 -35.163 2.271 1.00 35.54 H new ATOM 0 HE22 GLN A 46 2.270 -35.380 2.326 1.00 35.54 H new ATOM 674 N PHE A 47 0.408 -34.526 7.343 1.00 0.42 N ATOM 675 CA PHE A 47 0.334 -35.536 8.392 1.00 15.54 C ATOM 676 C PHE A 47 1.056 -35.066 9.652 1.00 53.32 C ATOM 677 O PHE A 47 2.171 -35.491 9.954 1.00 71.12 O ATOM 678 CB PHE A 47 0.939 -36.853 7.905 1.00 24.41 C ATOM 679 CG PHE A 47 0.805 -37.063 6.424 1.00 62.41 C ATOM 680 CD1 PHE A 47 1.920 -37.327 5.644 1.00 11.53 C ATOM 681 CD2 PHE A 47 -0.436 -36.997 5.811 1.00 22.01 C ATOM 682 CE1 PHE A 47 1.800 -37.521 4.281 1.00 11.41 C ATOM 683 CE2 PHE A 47 -0.562 -37.191 4.449 1.00 40.34 C ATOM 684 CZ PHE A 47 0.557 -37.452 3.682 1.00 3.54 C ATOM 0 H PHE A 47 1.345 -34.373 6.970 1.00 0.42 H new ATOM 0 HA PHE A 47 -0.717 -35.695 8.635 1.00 15.54 H new ATOM 0 HB2 PHE A 47 1.995 -36.880 8.174 1.00 24.41 H new ATOM 0 HB3 PHE A 47 0.457 -37.680 8.426 1.00 24.41 H new ATOM 0 HD1 PHE A 47 2.894 -37.382 6.107 1.00 11.53 H new ATOM 0 HD2 PHE A 47 -1.315 -36.792 6.405 1.00 22.01 H new ATOM 0 HE1 PHE A 47 2.677 -37.726 3.685 1.00 11.41 H new ATOM 0 HE2 PHE A 47 -1.535 -37.139 3.984 1.00 40.34 H new ATOM 0 HZ PHE A 47 0.460 -37.602 2.617 1.00 3.54 H new ATOM 694 N PRO A 48 0.406 -34.166 10.405 1.00 52.00 N ATOM 695 CA PRO A 48 0.966 -33.618 11.644 1.00 63.12 C ATOM 696 C PRO A 48 1.027 -34.654 12.761 1.00 63.54 C ATOM 697 O PRO A 48 0.026 -35.293 13.084 1.00 44.32 O ATOM 698 CB PRO A 48 -0.009 -32.496 12.008 1.00 2.23 C ATOM 699 CG PRO A 48 -1.296 -32.890 11.370 1.00 20.34 C ATOM 700 CD PRO A 48 -0.926 -33.615 10.106 1.00 54.34 C ATOM 0 HA PRO A 48 1.994 -33.282 11.512 1.00 63.12 H new ATOM 0 HB2 PRO A 48 -0.116 -32.400 13.088 1.00 2.23 H new ATOM 0 HB3 PRO A 48 0.339 -31.533 11.635 1.00 2.23 H new ATOM 0 HG2 PRO A 48 -1.879 -33.531 12.031 1.00 20.34 H new ATOM 0 HG3 PRO A 48 -1.908 -32.015 11.153 1.00 20.34 H new ATOM 0 HD2 PRO A 48 -1.642 -34.402 9.870 1.00 54.34 H new ATOM 0 HD3 PRO A 48 -0.899 -32.941 9.250 1.00 54.34 H new ATOM 708 N GLY A 49 2.209 -34.817 13.348 1.00 43.43 N ATOM 709 CA GLY A 49 2.378 -35.777 14.423 1.00 42.15 C ATOM 710 C GLY A 49 2.848 -37.129 13.924 1.00 74.15 C ATOM 711 O GLY A 49 3.532 -37.859 14.640 1.00 74.20 O ATOM 0 H GLY A 49 3.053 -34.301 13.098 1.00 43.43 H new ATOM 0 HA2 GLY A 49 3.098 -35.388 15.143 1.00 42.15 H new ATOM 0 HA3 GLY A 49 1.432 -35.897 14.951 1.00 42.15 H new ATOM 715 N ALA A 50 2.478 -37.464 12.692 1.00 61.42 N ATOM 716 CA ALA A 50 2.866 -38.738 12.098 1.00 41.42 C ATOM 717 C ALA A 50 4.366 -38.974 12.238 1.00 70.40 C ATOM 718 O ALA A 50 5.177 -38.192 11.741 1.00 54.05 O ATOM 719 CB ALA A 50 2.457 -38.783 10.633 1.00 63.01 C ATOM 0 H ALA A 50 1.910 -36.871 12.086 1.00 61.42 H new ATOM 0 HA ALA A 50 2.348 -39.534 12.633 1.00 41.42 H new ATOM 0 HB1 ALA A 50 2.753 -39.739 10.202 1.00 63.01 H new ATOM 0 HB2 ALA A 50 1.376 -38.668 10.553 1.00 63.01 H new ATOM 0 HB3 ALA A 50 2.949 -37.974 10.093 1.00 63.01 H new ATOM 725 N CYS A 51 4.728 -40.056 12.918 1.00 61.50 N ATOM 726 CA CYS A 51 6.132 -40.395 13.125 1.00 73.31 C ATOM 727 C CYS A 51 6.660 -41.248 11.976 1.00 21.43 C ATOM 728 O CYS A 51 7.716 -40.963 11.412 1.00 35.31 O ATOM 729 CB CYS A 51 6.309 -41.137 14.451 1.00 52.14 C ATOM 730 SG CYS A 51 7.142 -40.170 15.732 1.00 73.33 S ATOM 0 H CYS A 51 4.069 -40.714 13.335 1.00 61.50 H new ATOM 0 HA CYS A 51 6.704 -39.467 13.157 1.00 73.31 H new ATOM 0 HB2 CYS A 51 5.329 -41.440 14.819 1.00 52.14 H new ATOM 0 HB3 CYS A 51 6.878 -42.049 14.272 1.00 52.14 H new ATOM 0 HG CYS A 51 7.243 -40.881 16.816 1.00 73.33 H new ATOM 736 N GLY A 52 5.919 -42.299 11.636 1.00 11.41 N ATOM 737 CA GLY A 52 6.330 -43.179 10.558 1.00 52.42 C ATOM 738 C GLY A 52 5.202 -43.475 9.590 1.00 73.42 C ATOM 739 O GLY A 52 4.031 -43.489 9.974 1.00 44.22 O ATOM 0 H GLY A 52 5.042 -42.556 12.088 1.00 11.41 H new ATOM 0 HA2 GLY A 52 7.159 -42.723 10.017 1.00 52.42 H new ATOM 0 HA3 GLY A 52 6.700 -44.115 10.978 1.00 52.42 H new ATOM 743 N LEU A 53 5.552 -43.712 8.331 1.00 60.35 N ATOM 744 CA LEU A 53 4.560 -44.009 7.303 1.00 14.22 C ATOM 745 C LEU A 53 4.732 -45.428 6.773 1.00 64.53 C ATOM 746 O LEU A 53 5.853 -45.925 6.654 1.00 74.14 O ATOM 747 CB LEU A 53 4.671 -43.006 6.154 1.00 42.42 C ATOM 748 CG LEU A 53 4.777 -41.534 6.555 1.00 11.03 C ATOM 749 CD1 LEU A 53 3.882 -41.241 7.750 1.00 44.02 C ATOM 750 CD2 LEU A 53 6.221 -41.168 6.866 1.00 61.33 C ATOM 0 H LEU A 53 6.516 -43.704 7.997 1.00 60.35 H new ATOM 0 HA LEU A 53 3.571 -43.927 7.754 1.00 14.22 H new ATOM 0 HB2 LEU A 53 5.546 -43.263 5.557 1.00 42.42 H new ATOM 0 HB3 LEU A 53 3.800 -43.124 5.510 1.00 42.42 H new ATOM 0 HG LEU A 53 4.441 -40.924 5.716 1.00 11.03 H new ATOM 0 HD11 LEU A 53 3.970 -40.189 8.021 1.00 44.02 H new ATOM 0 HD12 LEU A 53 2.847 -41.464 7.492 1.00 44.02 H new ATOM 0 HD13 LEU A 53 4.187 -41.860 8.594 1.00 44.02 H new ATOM 0 HD21 LEU A 53 6.277 -40.117 7.149 1.00 61.33 H new ATOM 0 HD22 LEU A 53 6.584 -41.785 7.688 1.00 61.33 H new ATOM 0 HD23 LEU A 53 6.838 -41.339 5.984 1.00 61.33 H new ATOM 762 N ARG A 54 3.616 -46.075 6.454 1.00 61.42 N ATOM 763 CA ARG A 54 3.644 -47.438 5.935 1.00 42.51 C ATOM 764 C ARG A 54 3.343 -47.456 4.439 1.00 2.21 C ATOM 765 O ARG A 54 2.809 -46.491 3.891 1.00 30.12 O ATOM 766 CB ARG A 54 2.633 -48.311 6.680 1.00 2.11 C ATOM 767 CG ARG A 54 3.175 -49.678 7.063 1.00 61.42 C ATOM 768 CD ARG A 54 2.113 -50.758 6.923 1.00 12.41 C ATOM 769 NE ARG A 54 1.539 -51.131 8.213 1.00 13.30 N ATOM 770 CZ ARG A 54 0.736 -52.175 8.386 1.00 54.34 C ATOM 771 NH1 ARG A 54 0.414 -52.945 7.356 1.00 71.22 N ATOM 772 NH2 ARG A 54 0.253 -52.450 9.591 1.00 50.14 N ATOM 0 H ARG A 54 2.681 -45.678 6.546 1.00 61.42 H new ATOM 0 HA ARG A 54 4.645 -47.839 6.092 1.00 42.51 H new ATOM 0 HB2 ARG A 54 2.312 -47.791 7.582 1.00 2.11 H new ATOM 0 HB3 ARG A 54 1.749 -48.442 6.056 1.00 2.11 H new ATOM 0 HG2 ARG A 54 4.029 -49.922 6.431 1.00 61.42 H new ATOM 0 HG3 ARG A 54 3.536 -49.652 8.091 1.00 61.42 H new ATOM 0 HD2 ARG A 54 1.321 -50.405 6.262 1.00 12.41 H new ATOM 0 HD3 ARG A 54 2.551 -51.638 6.453 1.00 12.41 H new ATOM 0 HE ARG A 54 1.767 -50.558 9.026 1.00 13.30 H new ATOM 0 HH11 ARG A 54 0.783 -52.736 6.428 1.00 71.22 H new ATOM 0 HH12 ARG A 54 -0.203 -53.746 7.491 1.00 71.22 H new ATOM 0 HH21 ARG A 54 0.498 -51.859 10.386 1.00 50.14 H new ATOM 0 HH22 ARG A 54 -0.363 -53.252 9.723 1.00 50.14 H new ATOM 786 N TYR A 55 3.690 -48.558 3.785 1.00 71.43 N ATOM 787 CA TYR A 55 3.460 -48.701 2.352 1.00 72.20 C ATOM 788 C TYR A 55 2.260 -49.604 2.080 1.00 2.02 C ATOM 789 O TYR A 55 2.182 -50.721 2.591 1.00 71.52 O ATOM 790 CB TYR A 55 4.705 -49.269 1.668 1.00 13.02 C ATOM 791 CG TYR A 55 5.334 -48.321 0.672 1.00 74.42 C ATOM 792 CD1 TYR A 55 4.623 -47.876 -0.436 1.00 42.51 C ATOM 793 CD2 TYR A 55 6.638 -47.873 0.837 1.00 10.25 C ATOM 794 CE1 TYR A 55 5.194 -47.010 -1.350 1.00 33.35 C ATOM 795 CE2 TYR A 55 7.216 -47.006 -0.070 1.00 61.50 C ATOM 796 CZ TYR A 55 6.490 -46.578 -1.162 1.00 21.31 C ATOM 797 OH TYR A 55 7.063 -45.716 -2.069 1.00 31.40 O ATOM 0 H TYR A 55 4.132 -49.366 4.224 1.00 71.43 H new ATOM 0 HA TYR A 55 3.248 -47.713 1.944 1.00 72.20 H new ATOM 0 HB2 TYR A 55 5.442 -49.525 2.429 1.00 13.02 H new ATOM 0 HB3 TYR A 55 4.439 -50.195 1.158 1.00 13.02 H new ATOM 0 HD1 TYR A 55 3.608 -48.212 -0.586 1.00 42.51 H new ATOM 0 HD2 TYR A 55 7.210 -48.208 1.689 1.00 10.25 H new ATOM 0 HE1 TYR A 55 4.628 -46.674 -2.206 1.00 33.35 H new ATOM 0 HE2 TYR A 55 8.231 -46.665 0.075 1.00 61.50 H new ATOM 0 HH TYR A 55 7.392 -46.224 -2.840 1.00 31.40 H new ATOM 807 N ARG A 56 1.328 -49.111 1.272 1.00 51.42 N ATOM 808 CA ARG A 56 0.131 -49.871 0.932 1.00 65.15 C ATOM 809 C ARG A 56 -0.073 -49.915 -0.580 1.00 21.40 C ATOM 810 O ARG A 56 -0.613 -48.981 -1.171 1.00 24.12 O ATOM 811 CB ARG A 56 -1.097 -49.258 1.605 1.00 13.33 C ATOM 812 CG ARG A 56 -2.342 -50.125 1.508 1.00 41.22 C ATOM 813 CD ARG A 56 -3.301 -49.606 0.448 1.00 43.14 C ATOM 814 NE ARG A 56 -4.133 -50.671 -0.106 1.00 44.23 N ATOM 815 CZ ARG A 56 -5.080 -51.297 0.583 1.00 51.23 C ATOM 816 NH1 ARG A 56 -5.315 -50.966 1.845 1.00 41.11 N ATOM 817 NH2 ARG A 56 -5.796 -52.256 0.009 1.00 44.22 N ATOM 0 H ARG A 56 1.378 -48.188 0.840 1.00 51.42 H new ATOM 0 HA ARG A 56 0.263 -50.891 1.294 1.00 65.15 H new ATOM 0 HB2 ARG A 56 -0.872 -49.077 2.656 1.00 13.33 H new ATOM 0 HB3 ARG A 56 -1.303 -48.289 1.151 1.00 13.33 H new ATOM 0 HG2 ARG A 56 -2.056 -51.150 1.271 1.00 41.22 H new ATOM 0 HG3 ARG A 56 -2.845 -50.150 2.475 1.00 41.22 H new ATOM 0 HD2 ARG A 56 -3.939 -48.836 0.882 1.00 43.14 H new ATOM 0 HD3 ARG A 56 -2.734 -49.135 -0.355 1.00 43.14 H new ATOM 0 HE ARG A 56 -3.978 -50.949 -1.075 1.00 44.23 H new ATOM 0 HH11 ARG A 56 -4.768 -50.229 2.289 1.00 41.11 H new ATOM 0 HH12 ARG A 56 -6.043 -51.449 2.372 1.00 41.11 H new ATOM 0 HH21 ARG A 56 -5.619 -52.513 -0.962 1.00 44.22 H new ATOM 0 HH22 ARG A 56 -6.523 -52.736 0.539 1.00 44.22 H new ATOM 831 N ASN A 57 0.363 -51.008 -1.199 1.00 51.21 N ATOM 832 CA ASN A 57 0.229 -51.174 -2.642 1.00 13.42 C ATOM 833 C ASN A 57 -0.707 -52.332 -2.972 1.00 32.55 C ATOM 834 O ASN A 57 -0.453 -53.486 -2.625 1.00 33.15 O ATOM 835 CB ASN A 57 1.599 -51.413 -3.278 1.00 63.32 C ATOM 836 CG ASN A 57 1.753 -50.699 -4.607 1.00 75.43 C ATOM 837 OD1 ASN A 57 0.869 -49.952 -5.029 1.00 23.43 O ATOM 838 ND2 ASN A 57 2.878 -50.927 -5.275 1.00 12.13 N ATOM 0 H ASN A 57 0.812 -51.791 -0.724 1.00 51.21 H new ATOM 0 HA ASN A 57 -0.198 -50.258 -3.050 1.00 13.42 H new ATOM 0 HB2 ASN A 57 2.378 -51.074 -2.595 1.00 63.32 H new ATOM 0 HB3 ASN A 57 1.747 -52.483 -3.424 1.00 63.32 H new ATOM 0 HD21 ASN A 57 3.037 -50.475 -6.176 1.00 12.13 H new ATOM 0 HD22 ASN A 57 3.583 -51.554 -4.887 1.00 12.13 H new ATOM 962 N VAL A 66 7.834 -47.098 4.237 1.00 71.31 N ATOM 963 CA VAL A 66 8.667 -45.926 3.999 1.00 10.41 C ATOM 964 C VAL A 66 9.756 -45.801 5.059 1.00 60.14 C ATOM 965 O VAL A 66 9.467 -45.644 6.245 1.00 60.30 O ATOM 966 CB VAL A 66 7.828 -44.634 3.987 1.00 73.10 C ATOM 967 CG1 VAL A 66 8.723 -43.417 3.815 1.00 43.30 C ATOM 968 CG2 VAL A 66 6.777 -44.692 2.889 1.00 73.52 C ATOM 0 HA VAL A 66 9.129 -46.060 3.021 1.00 10.41 H new ATOM 0 HB VAL A 66 7.316 -44.546 4.945 1.00 73.10 H new ATOM 0 HG11 VAL A 66 8.112 -42.514 3.809 1.00 43.30 H new ATOM 0 HG12 VAL A 66 9.434 -43.369 4.640 1.00 43.30 H new ATOM 0 HG13 VAL A 66 9.265 -43.494 2.873 1.00 43.30 H new ATOM 0 HG21 VAL A 66 6.193 -43.771 2.895 1.00 73.52 H new ATOM 0 HG22 VAL A 66 7.267 -44.805 1.922 1.00 73.52 H new ATOM 0 HG23 VAL A 66 6.116 -45.541 3.062 1.00 73.52 H new ATOM 978 N ARG A 67 11.009 -45.872 4.622 1.00 3.51 N ATOM 979 CA ARG A 67 12.143 -45.767 5.533 1.00 33.43 C ATOM 980 C ARG A 67 12.233 -44.366 6.130 1.00 21.15 C ATOM 981 O ARG A 67 11.988 -43.371 5.447 1.00 73.20 O ATOM 982 CB ARG A 67 13.444 -46.108 4.804 1.00 53.50 C ATOM 983 CG ARG A 67 14.694 -45.793 5.610 1.00 54.05 C ATOM 984 CD ARG A 67 14.767 -46.634 6.875 1.00 44.35 C ATOM 985 NE ARG A 67 15.701 -46.075 7.849 1.00 30.50 N ATOM 986 CZ ARG A 67 17.015 -46.259 7.796 1.00 25.34 C ATOM 987 NH1 ARG A 67 17.549 -46.982 6.821 1.00 35.53 N ATOM 988 NH2 ARG A 67 17.800 -45.719 8.720 1.00 13.22 N ATOM 0 H ARG A 67 11.265 -46.002 3.643 1.00 3.51 H new ATOM 0 HA ARG A 67 11.992 -46.479 6.344 1.00 33.43 H new ATOM 0 HB2 ARG A 67 13.442 -47.168 4.552 1.00 53.50 H new ATOM 0 HB3 ARG A 67 13.479 -45.557 3.864 1.00 53.50 H new ATOM 0 HG2 ARG A 67 15.578 -45.975 4.999 1.00 54.05 H new ATOM 0 HG3 ARG A 67 14.701 -44.735 5.874 1.00 54.05 H new ATOM 0 HD2 ARG A 67 13.775 -46.704 7.322 1.00 44.35 H new ATOM 0 HD3 ARG A 67 15.073 -47.648 6.619 1.00 44.35 H new ATOM 0 HE ARG A 67 15.323 -45.513 8.612 1.00 30.50 H new ATOM 0 HH11 ARG A 67 16.950 -47.399 6.108 1.00 35.53 H new ATOM 0 HH12 ARG A 67 18.559 -47.121 6.784 1.00 35.53 H new ATOM 0 HH21 ARG A 67 17.394 -45.162 9.472 1.00 13.22 H new ATOM 0 HH22 ARG A 67 18.809 -45.861 8.678 1.00 13.22 H new ATOM 1002 N LEU A 68 12.586 -44.295 7.409 1.00 22.42 N ATOM 1003 CA LEU A 68 12.709 -43.016 8.099 1.00 32.04 C ATOM 1004 C LEU A 68 14.054 -42.908 8.811 1.00 51.35 C ATOM 1005 O LEU A 68 14.379 -43.723 9.673 1.00 23.25 O ATOM 1006 CB LEU A 68 11.571 -42.847 9.108 1.00 71.04 C ATOM 1007 CG LEU A 68 11.622 -41.587 9.972 1.00 21.05 C ATOM 1008 CD1 LEU A 68 12.512 -41.808 11.186 1.00 71.22 C ATOM 1009 CD2 LEU A 68 12.114 -40.400 9.157 1.00 22.11 C ATOM 0 H LEU A 68 12.792 -45.108 7.989 1.00 22.42 H new ATOM 0 HA LEU A 68 12.648 -42.222 7.354 1.00 32.04 H new ATOM 0 HB2 LEU A 68 10.626 -42.852 8.564 1.00 71.04 H new ATOM 0 HB3 LEU A 68 11.565 -43.715 9.767 1.00 71.04 H new ATOM 0 HG LEU A 68 10.613 -41.369 10.321 1.00 21.05 H new ATOM 0 HD11 LEU A 68 12.536 -40.901 11.789 1.00 71.22 H new ATOM 0 HD12 LEU A 68 12.116 -42.630 11.783 1.00 71.22 H new ATOM 0 HD13 LEU A 68 13.522 -42.052 10.857 1.00 71.22 H new ATOM 0 HD21 LEU A 68 12.144 -39.512 9.789 1.00 22.11 H new ATOM 0 HD22 LEU A 68 13.114 -40.609 8.777 1.00 22.11 H new ATOM 0 HD23 LEU A 68 11.437 -40.227 8.320 1.00 22.11 H new ATOM 1021 N VAL A 69 14.831 -41.894 8.444 1.00 44.22 N ATOM 1022 CA VAL A 69 16.140 -41.676 9.049 1.00 60.32 C ATOM 1023 C VAL A 69 16.382 -40.195 9.318 1.00 35.33 C ATOM 1024 O VAL A 69 16.367 -39.377 8.399 1.00 22.23 O ATOM 1025 CB VAL A 69 17.270 -42.214 8.151 1.00 71.31 C ATOM 1026 CG1 VAL A 69 17.119 -41.690 6.731 1.00 5.11 C ATOM 1027 CG2 VAL A 69 18.629 -41.842 8.724 1.00 12.25 C ATOM 0 H VAL A 69 14.577 -41.211 7.731 1.00 44.22 H new ATOM 0 HA VAL A 69 16.146 -42.220 9.994 1.00 60.32 H new ATOM 0 HB VAL A 69 17.200 -43.301 8.121 1.00 71.31 H new ATOM 0 HG11 VAL A 69 17.926 -42.081 6.111 1.00 5.11 H new ATOM 0 HG12 VAL A 69 16.161 -42.012 6.324 1.00 5.11 H new ATOM 0 HG13 VAL A 69 17.162 -40.601 6.739 1.00 5.11 H new ATOM 0 HG21 VAL A 69 19.415 -42.230 8.077 1.00 12.25 H new ATOM 0 HG22 VAL A 69 18.713 -40.757 8.786 1.00 12.25 H new ATOM 0 HG23 VAL A 69 18.734 -42.272 9.720 1.00 12.25 H new ATOM 1037 N GLU A 70 16.604 -39.858 10.585 1.00 73.40 N ATOM 1038 CA GLU A 70 16.848 -38.475 10.975 1.00 1.21 C ATOM 1039 C GLU A 70 15.644 -37.596 10.647 1.00 64.22 C ATOM 1040 O GLU A 70 15.782 -36.394 10.427 1.00 55.52 O ATOM 1041 CB GLU A 70 18.094 -37.935 10.270 1.00 25.41 C ATOM 1042 CG GLU A 70 19.300 -38.855 10.376 1.00 14.22 C ATOM 1043 CD GLU A 70 20.513 -38.160 10.963 1.00 63.33 C ATOM 1044 OE1 GLU A 70 20.688 -36.952 10.701 1.00 3.45 O ATOM 1045 OE2 GLU A 70 21.288 -38.825 11.682 1.00 12.22 O ATOM 0 H GLU A 70 16.620 -40.524 11.358 1.00 73.40 H new ATOM 0 HA GLU A 70 17.010 -38.452 12.053 1.00 1.21 H new ATOM 0 HB2 GLU A 70 17.864 -37.772 9.217 1.00 25.41 H new ATOM 0 HB3 GLU A 70 18.350 -36.964 10.695 1.00 25.41 H new ATOM 0 HG2 GLU A 70 19.043 -39.715 10.995 1.00 14.22 H new ATOM 0 HG3 GLU A 70 19.549 -39.238 9.386 1.00 14.22 H new ATOM 1052 N GLY A 71 14.464 -38.207 10.615 1.00 31.32 N ATOM 1053 CA GLY A 71 13.253 -37.467 10.312 1.00 1.24 C ATOM 1054 C GLY A 71 12.949 -37.435 8.828 1.00 71.12 C ATOM 1055 O GLY A 71 11.792 -37.305 8.427 1.00 13.24 O ATOM 0 H GLY A 71 14.325 -39.202 10.794 1.00 31.32 H new ATOM 0 HA2 GLY A 71 12.414 -37.917 10.842 1.00 1.24 H new ATOM 0 HA3 GLY A 71 13.353 -36.446 10.681 1.00 1.24 H new ATOM 1059 N ILE A 72 13.989 -37.553 8.010 1.00 42.33 N ATOM 1060 CA ILE A 72 13.827 -37.536 6.561 1.00 31.22 C ATOM 1061 C ILE A 72 13.340 -38.887 6.047 1.00 4.11 C ATOM 1062 O ILE A 72 14.046 -39.892 6.146 1.00 54.10 O ATOM 1063 CB ILE A 72 15.145 -37.174 5.851 1.00 13.32 C ATOM 1064 CG1 ILE A 72 15.618 -35.785 6.285 1.00 54.32 C ATOM 1065 CG2 ILE A 72 14.966 -37.231 4.341 1.00 20.14 C ATOM 1066 CD1 ILE A 72 16.963 -35.793 6.977 1.00 74.00 C ATOM 0 H ILE A 72 14.953 -37.661 8.326 1.00 42.33 H new ATOM 0 HA ILE A 72 13.081 -36.773 6.336 1.00 31.22 H new ATOM 0 HB ILE A 72 15.906 -37.901 6.135 1.00 13.32 H new ATOM 0 HG12 ILE A 72 15.673 -35.139 5.409 1.00 54.32 H new ATOM 0 HG13 ILE A 72 14.876 -35.351 6.955 1.00 54.32 H new ATOM 0 HG21 ILE A 72 15.906 -36.973 3.853 1.00 20.14 H new ATOM 0 HG22 ILE A 72 14.670 -38.238 4.048 1.00 20.14 H new ATOM 0 HG23 ILE A 72 14.194 -36.523 4.039 1.00 20.14 H new ATOM 0 HD11 ILE A 72 17.235 -34.775 7.256 1.00 74.00 H new ATOM 0 HD12 ILE A 72 16.908 -36.412 7.872 1.00 74.00 H new ATOM 0 HD13 ILE A 72 17.717 -36.197 6.302 1.00 74.00 H new ATOM 1078 N LEU A 73 12.132 -38.903 5.496 1.00 33.43 N ATOM 1079 CA LEU A 73 11.550 -40.131 4.964 1.00 43.22 C ATOM 1080 C LEU A 73 12.230 -40.534 3.659 1.00 23.24 C ATOM 1081 O LEU A 73 12.131 -39.832 2.652 1.00 23.24 O ATOM 1082 CB LEU A 73 10.049 -39.950 4.735 1.00 53.43 C ATOM 1083 CG LEU A 73 9.171 -39.973 5.987 1.00 41.24 C ATOM 1084 CD1 LEU A 73 9.370 -41.270 6.754 1.00 22.51 C ATOM 1085 CD2 LEU A 73 9.476 -38.774 6.874 1.00 74.34 C ATOM 0 H LEU A 73 11.536 -38.080 5.406 1.00 33.43 H new ATOM 0 HA LEU A 73 11.706 -40.925 5.695 1.00 43.22 H new ATOM 0 HB2 LEU A 73 9.892 -39.001 4.223 1.00 53.43 H new ATOM 0 HB3 LEU A 73 9.707 -40.736 4.061 1.00 53.43 H new ATOM 0 HG LEU A 73 8.128 -39.915 5.677 1.00 41.24 H new ATOM 0 HD11 LEU A 73 8.737 -41.269 7.642 1.00 22.51 H new ATOM 0 HD12 LEU A 73 9.101 -42.114 6.118 1.00 22.51 H new ATOM 0 HD13 LEU A 73 10.414 -41.359 7.053 1.00 22.51 H new ATOM 0 HD21 LEU A 73 8.842 -38.806 7.760 1.00 74.34 H new ATOM 0 HD22 LEU A 73 10.523 -38.801 7.176 1.00 74.34 H new ATOM 0 HD23 LEU A 73 9.281 -37.854 6.322 1.00 74.34 H new ATOM 1097 N HIS A 74 12.919 -41.671 3.684 1.00 42.31 N ATOM 1098 CA HIS A 74 13.614 -42.170 2.502 1.00 14.51 C ATOM 1099 C HIS A 74 12.674 -42.994 1.627 1.00 13.42 C ATOM 1100 O HIS A 74 11.774 -43.666 2.129 1.00 75.22 O ATOM 1101 CB HIS A 74 14.820 -43.015 2.912 1.00 12.12 C ATOM 1102 CG HIS A 74 16.081 -42.649 2.191 1.00 14.23 C ATOM 1103 ND1 HIS A 74 16.187 -42.645 0.817 1.00 44.15 N ATOM 1104 CD2 HIS A 74 17.292 -42.271 2.662 1.00 20.34 C ATOM 1105 CE1 HIS A 74 17.411 -42.282 0.473 1.00 35.53 C ATOM 1106 NE2 HIS A 74 18.101 -42.050 1.575 1.00 12.40 N ATOM 0 H HIS A 74 13.011 -42.264 4.509 1.00 42.31 H new ATOM 0 HA HIS A 74 13.961 -41.312 1.925 1.00 14.51 H new ATOM 0 HB2 HIS A 74 14.980 -42.908 3.985 1.00 12.12 H new ATOM 0 HB3 HIS A 74 14.597 -44.066 2.726 1.00 12.12 H new ATOM 0 HD2 HIS A 74 17.570 -42.163 3.700 1.00 20.34 H new ATOM 0 HE1 HIS A 74 17.783 -42.191 -0.537 1.00 35.53 H new ATOM 0 HE2 HIS A 74 19.077 -41.755 1.612 1.00 12.40 H new ATOM 1114 N ALA A 75 12.889 -42.935 0.317 1.00 23.21 N ATOM 1115 CA ALA A 75 12.063 -43.677 -0.627 1.00 15.21 C ATOM 1116 C ALA A 75 12.690 -45.025 -0.966 1.00 4.54 C ATOM 1117 O ALA A 75 13.901 -45.217 -0.856 1.00 65.35 O ATOM 1118 CB ALA A 75 11.845 -42.861 -1.892 1.00 50.34 C ATOM 0 H ALA A 75 13.629 -42.381 -0.115 1.00 23.21 H new ATOM 0 HA ALA A 75 11.097 -43.864 -0.157 1.00 15.21 H new ATOM 0 HB1 ALA A 75 11.226 -43.427 -2.588 1.00 50.34 H new ATOM 0 HB2 ALA A 75 11.345 -41.926 -1.640 1.00 50.34 H new ATOM 0 HB3 ALA A 75 12.807 -42.644 -2.355 1.00 50.34 H new ATOM 1124 N PRO A 76 11.849 -45.981 -1.386 1.00 64.12 N ATOM 1125 CA PRO A 76 12.300 -47.328 -1.749 1.00 42.13 C ATOM 1126 C PRO A 76 13.113 -47.339 -3.039 1.00 44.11 C ATOM 1127 O PRO A 76 13.427 -46.286 -3.596 1.00 33.34 O ATOM 1128 CB PRO A 76 10.993 -48.102 -1.935 1.00 14.41 C ATOM 1129 CG PRO A 76 9.984 -47.062 -2.284 1.00 33.43 C ATOM 1130 CD PRO A 76 10.394 -45.821 -1.540 1.00 73.32 C ATOM 0 HA PRO A 76 12.960 -47.754 -0.993 1.00 42.13 H new ATOM 0 HB2 PRO A 76 11.083 -48.847 -2.725 1.00 14.41 H new ATOM 0 HB3 PRO A 76 10.715 -48.634 -1.025 1.00 14.41 H new ATOM 0 HG2 PRO A 76 9.963 -46.884 -3.359 1.00 33.43 H new ATOM 0 HG3 PRO A 76 8.982 -47.378 -1.994 1.00 33.43 H new ATOM 0 HD2 PRO A 76 10.146 -44.918 -2.097 1.00 73.32 H new ATOM 0 HD3 PRO A 76 9.893 -45.747 -0.575 1.00 73.32 H new ATOM 1138 N ASP A 77 13.452 -48.534 -3.509 1.00 72.34 N ATOM 1139 CA ASP A 77 14.228 -48.682 -4.735 1.00 74.13 C ATOM 1140 C ASP A 77 13.342 -48.499 -5.964 1.00 63.21 C ATOM 1141 O ASP A 77 13.819 -48.545 -7.097 1.00 45.14 O ATOM 1142 CB ASP A 77 14.900 -50.055 -4.776 1.00 25.11 C ATOM 1143 CG ASP A 77 16.293 -50.035 -4.176 1.00 73.52 C ATOM 1144 OD1 ASP A 77 16.445 -49.526 -3.046 1.00 21.11 O ATOM 1145 OD2 ASP A 77 17.230 -50.530 -4.837 1.00 33.35 O ATOM 0 H ASP A 77 13.202 -49.415 -3.060 1.00 72.34 H new ATOM 0 HA ASP A 77 14.997 -47.909 -4.745 1.00 74.13 H new ATOM 0 HB2 ASP A 77 14.285 -50.774 -4.235 1.00 25.11 H new ATOM 0 HB3 ASP A 77 14.957 -50.398 -5.809 1.00 25.11 H new ATOM 1150 N ALA A 78 12.050 -48.293 -5.731 1.00 22.12 N ATOM 1151 CA ALA A 78 11.099 -48.103 -6.818 1.00 55.42 C ATOM 1152 C ALA A 78 10.610 -46.659 -6.874 1.00 20.14 C ATOM 1153 O ALA A 78 10.215 -46.167 -7.930 1.00 21.22 O ATOM 1154 CB ALA A 78 9.922 -49.054 -6.663 1.00 33.45 C ATOM 0 H ALA A 78 11.638 -48.254 -4.799 1.00 22.12 H new ATOM 0 HA ALA A 78 11.609 -48.324 -7.756 1.00 55.42 H new ATOM 0 HB1 ALA A 78 9.220 -48.900 -7.482 1.00 33.45 H new ATOM 0 HB2 ALA A 78 10.281 -50.083 -6.681 1.00 33.45 H new ATOM 0 HB3 ALA A 78 9.421 -48.861 -5.715 1.00 33.45 H new ATOM 1160 N GLY A 79 10.639 -45.985 -5.728 1.00 0.21 N ATOM 1161 CA GLY A 79 10.196 -44.604 -5.668 1.00 74.23 C ATOM 1162 C GLY A 79 8.978 -44.424 -4.784 1.00 32.21 C ATOM 1163 O GLY A 79 8.482 -45.385 -4.197 1.00 35.54 O ATOM 0 H GLY A 79 10.961 -46.371 -4.840 1.00 0.21 H new ATOM 0 HA2 GLY A 79 11.008 -43.981 -5.293 1.00 74.23 H new ATOM 0 HA3 GLY A 79 9.965 -44.256 -6.675 1.00 74.23 H new ATOM 1167 N TRP A 80 8.496 -43.190 -4.687 1.00 64.33 N ATOM 1168 CA TRP A 80 7.330 -42.887 -3.866 1.00 74.41 C ATOM 1169 C TRP A 80 6.066 -43.488 -4.473 1.00 3.22 C ATOM 1170 O TRP A 80 5.381 -44.288 -3.838 1.00 20.04 O ATOM 1171 CB TRP A 80 7.167 -41.374 -3.713 1.00 22.23 C ATOM 1172 CG TRP A 80 8.227 -40.747 -2.859 1.00 44.42 C ATOM 1173 CD1 TRP A 80 9.140 -39.806 -3.245 1.00 33.32 C ATOM 1174 CD2 TRP A 80 8.486 -41.016 -1.477 1.00 53.00 C ATOM 1175 NE1 TRP A 80 9.950 -39.475 -2.185 1.00 53.14 N ATOM 1176 CE2 TRP A 80 9.568 -40.202 -1.089 1.00 64.53 C ATOM 1177 CE3 TRP A 80 7.907 -41.863 -0.529 1.00 34.43 C ATOM 1178 CZ2 TRP A 80 10.082 -40.214 0.205 1.00 70.52 C ATOM 1179 CZ3 TRP A 80 8.418 -41.874 0.755 1.00 32.41 C ATOM 1180 CH2 TRP A 80 9.496 -41.054 1.113 1.00 51.12 C ATOM 0 H TRP A 80 8.895 -42.383 -5.167 1.00 64.33 H new ATOM 0 HA TRP A 80 7.485 -43.330 -2.882 1.00 74.41 H new ATOM 0 HB2 TRP A 80 7.185 -40.912 -4.700 1.00 22.23 H new ATOM 0 HB3 TRP A 80 6.189 -41.163 -3.280 1.00 22.23 H new ATOM 0 HD1 TRP A 80 9.214 -39.385 -4.237 1.00 33.32 H new ATOM 0 HE1 TRP A 80 10.712 -38.798 -2.211 1.00 53.14 H new ATOM 0 HE3 TRP A 80 7.075 -42.498 -0.795 1.00 34.43 H new ATOM 0 HZ2 TRP A 80 10.913 -39.583 0.482 1.00 70.52 H new ATOM 0 HZ3 TRP A 80 7.979 -42.526 1.495 1.00 32.41 H new ATOM 0 HH2 TRP A 80 9.872 -41.085 2.125 1.00 51.12 H new ATOM 1191 N GLY A 81 5.763 -43.096 -5.707 1.00 24.11 N ATOM 1192 CA GLY A 81 4.582 -43.606 -6.378 1.00 63.43 C ATOM 1193 C GLY A 81 3.325 -42.851 -5.994 1.00 24.41 C ATOM 1194 O GLY A 81 3.397 -41.762 -5.428 1.00 13.43 O ATOM 0 H GLY A 81 6.314 -42.434 -6.254 1.00 24.11 H new ATOM 0 HA2 GLY A 81 4.725 -43.542 -7.457 1.00 63.43 H new ATOM 0 HA3 GLY A 81 4.457 -44.661 -6.135 1.00 63.43 H new ATOM 1198 N ASN A 82 2.170 -43.432 -6.304 1.00 4.51 N ATOM 1199 CA ASN A 82 0.892 -42.805 -5.989 1.00 54.11 C ATOM 1200 C ASN A 82 -0.013 -43.768 -5.227 1.00 31.22 C ATOM 1201 O ASN A 82 -1.235 -43.744 -5.382 1.00 62.52 O ATOM 1202 CB ASN A 82 0.197 -42.342 -7.272 1.00 24.34 C ATOM 1203 CG ASN A 82 1.179 -41.828 -8.307 1.00 73.22 C ATOM 1204 OD1 ASN A 82 1.656 -40.604 -8.113 1.00 14.43 O flip ATOM 1205 ND2 ASN A 82 1.504 -42.524 -9.270 1.00 63.43 N flip ATOM 0 H ASN A 82 2.093 -44.335 -6.772 1.00 4.51 H new ATOM 0 HA ASN A 82 1.087 -41.939 -5.356 1.00 54.11 H new ATOM 0 HB2 ASN A 82 -0.371 -43.171 -7.694 1.00 24.34 H new ATOM 0 HB3 ASN A 82 -0.518 -41.555 -7.031 1.00 24.34 H new ATOM 0 HD21 ASN A 82 1.112 -43.459 -9.379 1.00 63.43 H new ATOM 0 HD22 ASN A 82 2.165 -42.165 -9.959 1.00 63.43 H new ATOM 1212 N LEU A 83 0.594 -44.614 -4.402 1.00 63.44 N ATOM 1213 CA LEU A 83 -0.156 -45.586 -3.614 1.00 61.34 C ATOM 1214 C LEU A 83 -0.596 -44.985 -2.284 1.00 11.24 C ATOM 1215 O LEU A 83 -0.374 -43.803 -2.021 1.00 2.24 O ATOM 1216 CB LEU A 83 0.692 -46.835 -3.367 1.00 71.21 C ATOM 1217 CG LEU A 83 2.141 -46.590 -2.946 1.00 22.03 C ATOM 1218 CD1 LEU A 83 3.017 -46.341 -4.164 1.00 75.22 C ATOM 1219 CD2 LEU A 83 2.224 -45.418 -1.979 1.00 25.03 C ATOM 0 H LEU A 83 1.604 -44.647 -4.261 1.00 63.44 H new ATOM 0 HA LEU A 83 -1.046 -45.865 -4.178 1.00 61.34 H new ATOM 0 HB2 LEU A 83 0.207 -47.432 -2.595 1.00 71.21 H new ATOM 0 HB3 LEU A 83 0.696 -47.433 -4.278 1.00 71.21 H new ATOM 0 HG LEU A 83 2.507 -47.482 -2.438 1.00 22.03 H new ATOM 0 HD11 LEU A 83 4.045 -46.169 -3.844 1.00 75.22 H new ATOM 0 HD12 LEU A 83 2.982 -47.210 -4.821 1.00 75.22 H new ATOM 0 HD13 LEU A 83 2.653 -45.465 -4.701 1.00 75.22 H new ATOM 0 HD21 LEU A 83 3.263 -45.258 -1.690 1.00 25.03 H new ATOM 0 HD22 LEU A 83 1.839 -44.520 -2.462 1.00 25.03 H new ATOM 0 HD23 LEU A 83 1.630 -45.636 -1.092 1.00 25.03 H new ATOM 1231 N VAL A 84 -1.220 -45.807 -1.446 1.00 10.01 N ATOM 1232 CA VAL A 84 -1.688 -45.357 -0.140 1.00 75.54 C ATOM 1233 C VAL A 84 -0.664 -45.663 0.946 1.00 3.22 C ATOM 1234 O VAL A 84 0.149 -46.577 0.808 1.00 5.00 O ATOM 1235 CB VAL A 84 -3.029 -46.018 0.233 1.00 62.20 C ATOM 1236 CG1 VAL A 84 -3.640 -45.337 1.448 1.00 23.22 C ATOM 1237 CG2 VAL A 84 -3.988 -45.981 -0.947 1.00 64.14 C ATOM 0 H VAL A 84 -1.413 -46.788 -1.648 1.00 10.01 H new ATOM 0 HA VAL A 84 -1.829 -44.278 -0.208 1.00 75.54 H new ATOM 0 HB VAL A 84 -2.841 -47.061 0.487 1.00 62.20 H new ATOM 0 HG11 VAL A 84 -4.586 -45.817 1.697 1.00 23.22 H new ATOM 0 HG12 VAL A 84 -2.957 -45.421 2.294 1.00 23.22 H new ATOM 0 HG13 VAL A 84 -3.815 -44.284 1.226 1.00 23.22 H new ATOM 0 HG21 VAL A 84 -4.930 -46.452 -0.665 1.00 64.14 H new ATOM 0 HG22 VAL A 84 -4.172 -44.946 -1.234 1.00 64.14 H new ATOM 0 HG23 VAL A 84 -3.551 -46.519 -1.788 1.00 64.14 H new ATOM 1247 N TYR A 85 -0.709 -44.892 2.027 1.00 23.33 N ATOM 1248 CA TYR A 85 0.217 -45.079 3.138 1.00 43.11 C ATOM 1249 C TYR A 85 -0.529 -45.122 4.468 1.00 62.10 C ATOM 1250 O TYR A 85 -1.549 -44.456 4.643 1.00 73.12 O ATOM 1251 CB TYR A 85 1.255 -43.955 3.159 1.00 73.13 C ATOM 1252 CG TYR A 85 0.928 -42.848 4.135 1.00 3.31 C ATOM 1253 CD1 TYR A 85 0.305 -41.681 3.709 1.00 2.04 C ATOM 1254 CD2 TYR A 85 1.244 -42.967 5.483 1.00 72.41 C ATOM 1255 CE1 TYR A 85 0.006 -40.666 4.598 1.00 74.14 C ATOM 1256 CE2 TYR A 85 0.947 -41.958 6.378 1.00 33.44 C ATOM 1257 CZ TYR A 85 0.328 -40.810 5.931 1.00 12.20 C ATOM 1258 OH TYR A 85 0.031 -39.802 6.820 1.00 45.23 O ATOM 0 H TYR A 85 -1.377 -44.132 2.158 1.00 23.33 H new ATOM 0 HA TYR A 85 0.726 -46.032 2.997 1.00 43.11 H new ATOM 0 HB2 TYR A 85 2.228 -44.375 3.412 1.00 73.13 H new ATOM 0 HB3 TYR A 85 1.341 -43.532 2.158 1.00 73.13 H new ATOM 0 HD1 TYR A 85 0.050 -41.565 2.666 1.00 2.04 H new ATOM 0 HD2 TYR A 85 1.730 -43.864 5.837 1.00 72.41 H new ATOM 0 HE1 TYR A 85 -0.477 -39.765 4.251 1.00 74.14 H new ATOM 0 HE2 TYR A 85 1.198 -42.068 7.423 1.00 33.44 H new ATOM 0 HH TYR A 85 -0.058 -38.955 6.336 1.00 45.23 H new ATOM 1268 N VAL A 86 -0.011 -45.911 5.404 1.00 31.21 N ATOM 1269 CA VAL A 86 -0.626 -46.041 6.720 1.00 63.42 C ATOM 1270 C VAL A 86 0.227 -45.374 7.793 1.00 12.11 C ATOM 1271 O VAL A 86 1.376 -45.756 8.015 1.00 40.41 O ATOM 1272 CB VAL A 86 -0.840 -47.520 7.096 1.00 44.25 C ATOM 1273 CG1 VAL A 86 -1.439 -47.635 8.489 1.00 71.53 C ATOM 1274 CG2 VAL A 86 -1.724 -48.208 6.067 1.00 51.23 C ATOM 0 H VAL A 86 0.833 -46.470 5.276 1.00 31.21 H new ATOM 0 HA VAL A 86 -1.594 -45.543 6.668 1.00 63.42 H new ATOM 0 HB VAL A 86 0.128 -48.020 7.101 1.00 44.25 H new ATOM 0 HG11 VAL A 86 -1.583 -48.686 8.737 1.00 71.53 H new ATOM 0 HG12 VAL A 86 -0.764 -47.180 9.214 1.00 71.53 H new ATOM 0 HG13 VAL A 86 -2.400 -47.121 8.515 1.00 71.53 H new ATOM 0 HG21 VAL A 86 -1.865 -49.252 6.348 1.00 51.23 H new ATOM 0 HG22 VAL A 86 -2.692 -47.709 6.027 1.00 51.23 H new ATOM 0 HG23 VAL A 86 -1.249 -48.157 5.087 1.00 51.23 H new ATOM 1284 N VAL A 87 -0.344 -44.374 8.458 1.00 71.32 N ATOM 1285 CA VAL A 87 0.363 -43.654 9.510 1.00 54.30 C ATOM 1286 C VAL A 87 0.795 -44.597 10.627 1.00 14.22 C ATOM 1287 O VAL A 87 0.219 -45.670 10.805 1.00 45.44 O ATOM 1288 CB VAL A 87 -0.510 -42.534 10.107 1.00 34.01 C ATOM 1289 CG1 VAL A 87 -0.617 -41.366 9.139 1.00 41.22 C ATOM 1290 CG2 VAL A 87 -1.889 -43.068 10.465 1.00 11.34 C ATOM 0 H VAL A 87 -1.294 -44.045 8.286 1.00 71.32 H new ATOM 0 HA VAL A 87 1.247 -43.211 9.051 1.00 54.30 H new ATOM 0 HB VAL A 87 -0.035 -42.175 11.020 1.00 34.01 H new ATOM 0 HG11 VAL A 87 -1.237 -40.585 9.578 1.00 41.22 H new ATOM 0 HG12 VAL A 87 0.378 -40.969 8.937 1.00 41.22 H new ATOM 0 HG13 VAL A 87 -1.068 -41.706 8.207 1.00 41.22 H new ATOM 0 HG21 VAL A 87 -2.493 -42.264 10.885 1.00 11.34 H new ATOM 0 HG22 VAL A 87 -2.373 -43.455 9.568 1.00 11.34 H new ATOM 0 HG23 VAL A 87 -1.790 -43.869 11.198 1.00 11.34 H new ATOM 1300 N ASN A 88 1.812 -44.188 11.379 1.00 71.23 N ATOM 1301 CA ASN A 88 2.322 -44.997 12.480 1.00 71.12 C ATOM 1302 C ASN A 88 2.804 -44.113 13.626 1.00 23.31 C ATOM 1303 O ASN A 88 3.782 -43.378 13.488 1.00 62.12 O ATOM 1304 CB ASN A 88 3.464 -45.893 11.996 1.00 42.41 C ATOM 1305 CG ASN A 88 2.992 -46.959 11.026 1.00 1.42 C ATOM 1306 OD1 ASN A 88 1.975 -47.613 11.253 1.00 35.32 O ATOM 1307 ND2 ASN A 88 3.732 -47.138 9.938 1.00 52.41 N ATOM 0 H ASN A 88 2.299 -43.302 11.246 1.00 71.23 H new ATOM 0 HA ASN A 88 1.508 -45.623 12.845 1.00 71.12 H new ATOM 0 HB2 ASN A 88 4.225 -45.279 11.514 1.00 42.41 H new ATOM 0 HB3 ASN A 88 3.936 -46.370 12.855 1.00 42.41 H new ATOM 0 HD21 ASN A 88 3.464 -47.841 9.249 1.00 52.41 H new ATOM 0 HD22 ASN A 88 4.568 -46.572 9.791 1.00 52.41 H new